9QOF

E.coli seryl-tRNA synthetase (Arm deletion mutant) bound to sulphamoyl seryl-adenylate analogue

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID2
Synchrotron site	ESRF
Beamline	ID2
Temperature [K]	283
Detector technology	IMAGE PLATE
Collection date	1995-09-15
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.905
Spacegroup name	C 2 2 21
Unit cell lengths	132.615, 92.901, 171.691
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	11.990 - 2.320
R-factor	0.1314
Rwork	0.130
R-free	0.16300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.749
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	11.990	2.370
High resolution limit [Å]	2.320	2.320
Rmerge	0.060	0.180
Number of reflections	45240	2478
<I/σ(I)>	20.7
Completeness [%]	95.4
Redundancy	3.9	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		287	Reservoir solution, 1ml of 40-44% potassium phosphate. Drop, 5 microlitre reservoir + 5 microlitre protein solution. Protein solution, 15 mg/ml protein, 10 mM MgCl2, 1mM DTT, 1 mM NaN3. All solutions ibuffered with 4mM Tris.HCl at pH 7.5 to 8.2.